2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

C16H12N6O6 — CID 3103706

IUPAC2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c23-16(9-20-8-15(18-10-20)22(26)27)19-11-4-12(21(24)25)6-14(5-11)28-13-2-1-3-17-7-13/h1-8,10H,9H2,(H,19,23)
InChIKeyLQUXMPAQGUBJJX-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (PubChem CID 3103706) has the molecular formula C16H12N6O6 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
PubChem CID3103706
Molecular FormulaC16H12N6O6
Molecular Weight384.31 g/mol
Exact Mass384.08
IUPAC Name2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c23-16(9-20-8-15(18-10-20)22(26)27)19-11-4-12(21(24)25)6-14(5-11)28-13-2-1-3-17-7-13/h1-8,10H,9H2,(H,19,23)
InChIKeyLQUXMPAQGUBJJX-UHFFFAOYSA-N
XLogP2.53
TPSA155.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (CID 3103706) is 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is LQUXMPAQGUBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O6/c23-16(9-20-8-15(18-10-20)22(26)27)19-11-4-12(21(24)25)6-14(5-11)28-13-2-1-3-17-7-13/h1-8,10H,9H2,(H,19,23).
What are the key properties of 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 384.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroimidazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 3103706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).